BDBM23864 Peptidyl alpha-Ketoester, 1e::methyl 3-[(2S)-2-[1-(9H-fluoren-9-yl)acetamido]-4-methylpentanamido]-2-oxo-4-phenylbutanoate

SMILES: COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC1c2ccccc2-c2ccccc12

InChI Key: InChIKey=ZWXMFRUOSPOFGY-CPRJBALCSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23864   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Calpain-1 (Sus scrofa (pig))	BDBM23864 (Peptidyl alpha-Ketoester, 1e | methyl 3-[(2S)-2-[1...) Show SMILES COC(=O)C(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C32H34N2O5/c1-20(2)17-28(31(37)34-27(30(36)32(38)39-3)18-21-11-5-4-6-12-21)33-29(35)19-26-24-15-9-7-13-22(24)23-14-8-10-16-25(23)26/h4-16,20,26-28H,17-19H2,1-3H3,(H,33,35)(H,34,37)/t27?,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	-7.99	n/a	n/a	n/a	n/a	n/a	7.4	22
University of Tennessee Health Science Center					Assay Description Assays were initiated by addition of CaCl2, and the increase in fluorescence (ex @370 nm, em @440 nm) was monitored. MDL28170 and buffer with 2% DMSO...				J Med Chem 51: 4346-50 (2008) Article DOI: 10.1021/jm800182c BindingDB Entry DOI: 10.7270/Q2542KW0
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